Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L6LHS7WZM9
EPA CompTox DTXSID90185355

Structure

InChI Key KMWTUCKAZFNWNG-UHFFFAOYSA-N
Smiles O=C(C1=CC=C(F)C=C1)C2CCC2
InChI
InChI=1/C11H11FO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11FO
Molecular Weight 178.08
AlogP 2.81
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 31431-13-7
NORMAN SUSDAT
FDA SRS L6LHS7WZM9
PubChem 97471